Vitas-M small molecule compound

ethyl 4-[(4-{[(5-chloro-2-methylphenyl)(phenylsulfonyl)amino]methyl}phenyl)carbonyl]piperazine-1-carboxylate

Catalog ID
STK393042
SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)CN(S(=O)(=O)c1ccccc1)c1cc(Cl)ccc1C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C28H30ClN3O5S MW 556.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN3O5S/c1-3-37-28(34)31-17-15-30(16-18-31)27(33)23-12-10-22(11-13-23)20-32(26-19-24(29)14-9-21(26)2)38(35,36)25-7-5-4-6-8-25/h4-14,19H,3,15-18,20H2,1-2H3
InChIKey
SBBYGEKAWFCGKJ-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(C3=C(C=CC(=C3)Cl)C)S(=O)(=O)C4=CC=CC=C4
ethyl4((4(((5chloro2methylphenyl)(phenylsulfonyl)amino)methyl)phenyl)carbonyl)piperazine1carboxylate
ETHYL4((4(((5CHLORO2METHYLPHENYL)(PHENYLSULFONYL)AMINO)METHYL)PHENYL)CARBONYL)PIPERAZINECARBOXYLATE
ETHYL4(4((N(BENZENESULFONYL)5CHLORO2METHYLANILINO)METHYL)BENZOYL)PIPERAZINE1CARBOXYLATE
InChI=1SC28H30ClN3O5Sc133728(34)31171530(161831)27(33)23121022(111323)2032(261924(29)14921(26)2)38(3536)257546825h41419H3151820H212H3
MFCD02138693
ZINC000100189122
ZINC100189122

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.